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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010295

(E)-3-CYANOMETHYLENE-1-PARA-TOLYL-2,5-PYRROLIDINEDIONE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010295
RECORD_TITLE: (E)-3-CYANOMETHYLENE-1-PARA-TOLYL-2,5-PYRROLIDINEDIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (E)-3-CYANOMETHYLENE-1-PARA-TOLYL-2,5-PYRROLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10N2O2
CH$EXACT_MASS: 226.07423
CH$SMILES: N#CC([H])=C(C2)C(=O)N(C(=O)2)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C13H10N2O2/c1-9-2-4-11(5-3-9)15-12(16)8-10(6-7-14)13(15)17/h2-6H,8H2,1H3/b10-6+
CH$LINK: INCHIKEY POSKQLATMWPYAJ-UXBLZVDNSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-9460000000-6a7a7539b0b9ed620f19
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  38 9 90
  39 9.11 91
  51 8.39 84
  52 5.14 51
  64 12.13 121
  65 39.88 399
  75 12.91 129
  76 7.86 79
  77 5.19 52
  86 12.29 123
  87 33.3 333
  96 8.08 81
  98 9.88 99
  99 6.02 60
  133 13.02 130
  135 7.3 73
  161 16.07 161
  169 6.31 63
  170 5.54 55
  183 15.73 157
  197 6.45 65
  198 19.45 195
  211 9.82 98
  225 7.36 74
  226 99.99 999
  227 15.39 154
//

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